Materials Data on K3NO3 by Materials Project

Abstract

K3NO3 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.18 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form corner-sharing KO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of K–O bond distances ranging from 2.59–3.01 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one N3+ atom. In the second O2- site, O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedra tilt angles range from 0–27°.